TY - JOUR
T1 - Hydrogen Reactions with Dopants and Impurities in Solar Silicon from First Principles
AU - Coutinho, José
AU - Gomes, Diana
AU - Torres, Vitor J.B.
AU - Fattah, Tarek O.Abdul
AU - Markevich, Vladimir P.
AU - Peaker, Anthony R.
N1 - Publisher Copyright:
© 2023 Wiley-VCH GmbH.
PY - 2024/1
Y1 - 2024/1
N2 - A theoretical account of some of the most likely hydrogen-related reactions with impurities in n- and p-type solar-grade silicon is presented. These include reactions with dopants and carbon, which are relevant in the context of lifetime degradation of silicon solar cells, most notably of light- and elevated temperature-induced degradation of the cells. Among the problems addressed, a comparative study of acceptor-enhanced dissociation of hydrogen molecules in B- and Ga-doped material, their subsequent reaction steps toward formation of acceptor–hydrogen pairs, the proposal of mechanisms which explain the observed kinetics of photo-/carrier-induced dissociation of PH and CH pairs in n-type Si, analysis of reactions involving direct interactions between molecules with P and C, and the assignment of several electron and hole traps with detailed atomistic- and wavefunction-resolved models is highlighted.
AB - A theoretical account of some of the most likely hydrogen-related reactions with impurities in n- and p-type solar-grade silicon is presented. These include reactions with dopants and carbon, which are relevant in the context of lifetime degradation of silicon solar cells, most notably of light- and elevated temperature-induced degradation of the cells. Among the problems addressed, a comparative study of acceptor-enhanced dissociation of hydrogen molecules in B- and Ga-doped material, their subsequent reaction steps toward formation of acceptor–hydrogen pairs, the proposal of mechanisms which explain the observed kinetics of photo-/carrier-induced dissociation of PH and CH pairs in n-type Si, analysis of reactions involving direct interactions between molecules with P and C, and the assignment of several electron and hole traps with detailed atomistic- and wavefunction-resolved models is highlighted.
KW - carbon
KW - dopants
KW - hydrogen
KW - light- and elevated temperature-induced degradation
KW - silicon
UR - http://www.scopus.com/inward/record.url?scp=85178169940&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/51bd074e-1b3a-38fd-b9d7-13fdf94deac0/
U2 - 10.1002/solr.202300639
DO - 10.1002/solr.202300639
M3 - Article
AN - SCOPUS:85178169940
SN - 2367-198X
VL - 8
JO - Solar RRL
JF - Solar RRL
IS - 2
M1 - 2300639
ER -